3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid

C18H20O5 — CID 83950554

IUPAC3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC)c(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O5/c1-11-8-13(22-2)5-6-14(11)15(18(20)21)9-12-4-7-17(23-3)16(19)10-12/h4-8,10,15,19H,9H2,1-3H3,(H,20,21)
InChIKeyRTFUQHHEYGTKQE-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.13
Rot. Bonds6

About 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid

3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid (PubChem CID 83950554) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
PubChem CID83950554
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC)c(O)c2)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O5/c1-11-8-13(22-2)5-6-14(11)15(18(20)21)9-12-4-7-17(23-3)16(19)10-12/h4-8,10,15,19H,9H2,1-3H3,(H,20,21)
InChIKeyRTFUQHHEYGTKQE-UHFFFAOYSA-N
XLogP3.13
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
3-(3-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83956081
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
2-(3,4-dimethylphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 82160556
2-(5-chloro-2-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 83950557
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
2-(4-methoxy-2-methylphenyl)-3-(4-nitrophenyl)propanoic acid
CID 112721183
3-amino-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 82612040
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
2-(4-ethoxy-2-methylphenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 83956080
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methylphenyl)propanoic acid
CID 165353920
3-(1,3-benzodioxol-5-yl)-2-(2,4-dimethoxyphenyl)propanoic acid
CID 82140683

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid (CID 83950554) is 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid is COc1ccc(C(Cc2ccc(OC)c(O)c2)C(=O)O)c(C)c1.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
The InChIKey is RTFUQHHEYGTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-11-8-13(22-2)5-6-14(11)15(18(20)21)9-12-4-7-17(23-3)16(19)10-12/h4-8,10,15,19H,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid?
3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid has a molecular weight of 316.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 83950554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).